UCSF

ZINC36786706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 0.24 -9.58 3 5 0 84 272.37 4
Hi High (pH 8-9.5) 1.90 1.19 -42.84 2 5 -1 86 271.362 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )